1,2,3,4a,5,6,6aalpha,7,8,10,10a,10balpha-Dodecahydro-3alpha-ethenyl-8beta-hydroxy-3,4abeta,7,7,10abeta-pentamethyl-9H-naphtho[2,1-b]pyran-9-one

1,2,3,4a,5,6,6aalpha,7,8,10,10a,10balpha-Dodecahydro-3alpha-ethenyl-8beta-hydroxy-3,4abeta,7,7,10abeta-pentamethyl-9H-naphtho[2,1-b]pyran-9-one

Common Name: 1,2,3,4a,5,6,6aalpha,7,8,10,10a,10balpha-Dodecahydro-3alpha-ethenyl-8beta-hydroxy-3,4abeta,7,7,10abeta-pentamethyl-9H-naphtho[2,1-b]pyran-9-one

Synonyms: 1,2,3,4a,5,6,6aalpha,7,8,10,10a,10balpha-Dodecahydro-3alpha-ethenyl-8beta-hydroxy-3,4abeta,7,7,10abeta-pentamethyl-9H-naphtho[2,1-b]pyran-9-one

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-7-18(4)10-8-15-19(5)12-13(21)16(22)17(2,3)14(19)9-11-20(15,6)23-18/h7,14-16,22H,1,8-12H2,2-6H3/t14-,15+,16-,18-,19-,20+/m0/s1

InChIKey: InChIKey=WKRNXBWIIHEZTF-CJEFFJQMSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jakupovic, J., Jeske, F., Morgenstern, T., Tsichritzis, F., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1583-600

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 52.1
2 (C) 210.9
3 (CH) 82.9
4 (C) 45.2
5 (CH) 54.5
6 (CH2) 19.6
7 (CH2) 42.6
8 (C) 74.6
9 (CH) 54.9
10 (C) 43.1
11 (CH2) 15.6
12 (CH2) 35.5
13 (C) 73.5
14 (CH) 147.5
15 (CH2) 110.6
16 (CH3) 28.3
17 (CH3) 24.9
18 (CH3) 29.3
19 (CH3) 16.2
20 (CH3) 16.3